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N-[(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)methyl]-N-(4-methoxyphenyl)-2-furamide
SpectraBase Compound ID ArbIcMajDGo
InChI InChI=1S/C22H20N2O5/c1-28-16-8-6-15(7-9-16)23(20(25)17-3-2-10-29-17)12-24-21(26)18-13-4-5-14(11-13)19(18)22(24)27/h2-10,13-14,18-19H,11-12H2,1H3
InChIKey RCPCFGLABKSTLI-UHFFFAOYSA-N
Mol Weight 392.41 g/mol
Molecular Formula C22H20N2O5
Exact Mass 392.137222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CVLe3WtmUq8
Name N-[(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)methyl]-N-(4-methoxyphenyl)-2-furamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.137221747 u
Formula C22H20N2O5
InChI InChI=1S/C22H20N2O5/c1-28-16-8-6-15(7-9-16)23(20(25)17-3-2-10-29-17)12-24-21(26)18-13-4-5-14(11-13)19(18)22(24)27/h2-10,13-14,18-19H,11-12H2,1H3
InChIKey RCPCFGLABKSTLI-UHFFFAOYSA-N
Molecular Weight 392.411 g/mol
SMILES COC1=CC=C(N(CN2C(C3C4C=CC(C3C2=O)C4)=O)C(C=2OC=CC2)=O)C=C1